Structure Database (LMSD)
Common Name
(E)-3,7-Dimethyl-2,6-octadienyl dodecanoate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl dodecanoate
Synonyms
- WE(8:2(2E,6E)(3Me,7Me)/12:0)
3D model of (E)-3,7-Dimethyl-2,6-octadienyl dodecanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
LNEUQAMNTXRCPI-DYTRJAOYSA-N
InChi (Click to copy)
InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,18H,5-14,16-17,19H2,1-4H3/b21-18+
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OC/C=C(\C)/CC/C=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
398.82
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
7.43
Molar Refractivity
105.72
Admin
Created at
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Updated at
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